TL;DR: 8-(2-Hydroxyethyl)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane hydrochloride (CAS 136375-81-0) is a chemical compound with molecular formula C13H20ClNO and molecular weight 241.12334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylamino)ethanol;hydrochloride
Also Known As: 8-(2-Hydroxyethyl)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane hydrochloride, Ethanol, 2-((octahydro-1,2,4-ethanylylidene-1H-cyclobuta(cd)pentalen-5-yl)amino)-, hydrochloride, 2-{[Octahydro-1H-2,4,1-(ethane[1,1,2]triyl)cyclobuta[cd]pentalen-5-yl]amino}ethan-1-ol--hydrogen chloride (1/1)
| Molecular Formula | C13H20ClNO |
| Molecular Weight | 241.12334 g/mol |
| XLogP | 1.1365 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.12334 Da |
| Heavy Atoms | 16 |
| Complexity | 330.0 |
| SMILES | C1C2C3CC4C2C5C1C3C(C45)NCCO.Cl |
| InChIKey | AELQGAMTPZVQJR-UHFFFAOYSA-N |
The XLogP value of 1.1365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(2-Hydroxyethyl)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane hydrochloride. With a topological polar surface area (TPSA) of 32.3 Ų, 8-(2-Hydroxyethyl)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(2-Hydroxyethyl)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane hydrochloride has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 8-(2-Hydroxyethyl)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane hydrochloride is 136375-81-0.
The molecular formula of 8-(2-Hydroxyethyl)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane hydrochloride is C13H20ClNO.
The molecular weight of 8-(2-Hydroxyethyl)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane hydrochloride is 241.12334 g/mol.
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